(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid

C11H19NO2 — CID 130409396

IUPAC(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid
SMILESCC1C/C(=C\CCC(=O)O)CN(C)C1
InChIInChI=1S/C11H19NO2/c1-9-6-10(8-12(2)7-9)4-3-5-11(13)14/h4,9H,3,5-8H2,1-2H3,(H,13,14)/b10-4+
InChIKeyVYPIHMSXIVTPQT-ONNFQVAWSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds3

About (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid

(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid (PubChem CID 130409396) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid.

Molecular Properties

Compound Name(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid
PubChem CID130409396
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid
SMILESCC1C/C(=C\CCC(=O)O)CN(C)C1
InChIInChI=1S/C11H19NO2/c1-9-6-10(8-12(2)7-9)4-3-5-11(13)14/h4,9H,3,5-8H2,1-2H3,(H,13,14)/b10-4+
InChIKeyVYPIHMSXIVTPQT-ONNFQVAWSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid?
The IUPAC name of (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid (CID 130409396) is (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid.
What is the SMILES notation for (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid?
The canonical SMILES for (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid is CC1C/C(=C\CCC(=O)O)CN(C)C1.
What is the InChIKey of (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid?
The InChIKey is VYPIHMSXIVTPQT-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-6-10(8-12(2)7-9)4-3-5-11(13)14/h4,9H,3,5-8H2,1-2H3,(H,13,14)/b10-4+.
What are the key properties of (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid?
(4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1,5-dimethylpiperidin-3-ylidene)butanoic acid is sourced from PubChem (CID 130409396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).